ChemSpider 2D Image | (2S)-3-(4-Biphenylyl)-2-({(2S)-4-methyl-2-[(phosphonomethyl)amino]pentanoyl}amino)propanoic acid | C22H29N2O6P

(2S)-3-(4-Biphenylyl)-2-({(2S)-4-methyl-2-[(phosphonomethyl)amino]pentanoyl}amino)propanoic acid

  • Molecular FormulaC22H29N2O6P
  • Average mass448.449 Da
  • Monoisotopic mass448.176331 Da
  • ChemSpider ID23180656

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-(4-Biphenylyl)-2-({(2S)-4-methyl-2-[(phosphonomethyl)amino]pentanoyl}amino)propanoic acid [ACD/IUPAC Name]
(2S)-3-(4-Biphenylyl)-2-({(2S)-4-methyl-2-[(phosphonomethyl)amino]pentanoyl}amino)propansäure [German] [ACD/IUPAC Name]
(2S)-3-(biphenyl-4-yl)-2-({(2S)-4-methyl-2-[(phosphonomethyl)amino]pentanoyl}amino)propanoic acid (non-preferred name)
Acide (2S)-3-(4-biphénylyl)-2-({(2S)-4-méthyl-2-[(phosphonométhyl)amino]pentanoyl}amino)propanoïque [French] [ACD/IUPAC Name]
(S)-3-Biphenyl-4-yl-2-[(S)-4-methyl-2-(phosphonomethyl-amino)-pentanoylamino]-propionic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

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